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ID: Supplier:Focus Synthesis LLC. SMILES:N(CC(F)F)CC(F)F FORMULA: C4H7F4N
MASS: 145.0987
EXACT MASS: 145.0514621
INTERATOMIC DISTANCES
N 1 C 2 C 3 F 4 F 5 F 6
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N 1 0.0000
C 2 1.1750 0.0000
C 3 1.1625 2.3375 0.0000
F 4 1.9460 0.8341 3.0902 0.0000
F 5 1.8552 0.8309 2.9834 1.0094 0.0000
F 6 1.8420 2.9826 0.8279 3.7834 3.5125 0.0000
F 7 1.0405 2.0633 0.8264 2.8898 2.5243 1.0012
C 8 0.8279 1.8512 0.8191 2.4889 2.6199 1.6470
C 9 0.8309 0.8250 1.8434 1.3230 1.6558 2.6106
H 10 1.0471 0.8171 2.0644 1.5910 0.9954 2.5283
H 11 1.9216 3.0778 0.8233 3.7750 3.7725 1.0036
F 7 C 8 C 9 H 10 H 11
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F 7 0.0000
C 8 1.3117 0.0000
C 9 1.8711 1.1708 0.0000
H 10 1.5333 1.8744 1.3052 0.0000
H 11 1.5910 1.3024 2.4681 2.8789 0.0000
ATOMIC CHARGES
N 1 -0.2072683491
C 2 0.2627009731
C 3 0.2627009731
F 4 -0.2070418845
F 5 -0.2070418845
F 6 -0.2070418845
F 7 -0.2070418845
C 8 0.1510921172
C 9 0.1510921172
H 10 0.1039248533
H 11 0.1039248533
BOND ANGLES
TORSION ANGLES
4 2 9 1 179.974
5 2 9 1 0.026
10 2 9 1 0.026
6 3 8 1 179.974
7 3 8 1 0.026
11 3 8 1 179.974
3 8 1 9 179.974
2 9 1 8 179.974
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